SPYRAKIS, Francesca
SPYRAKIS, Francesca
SCIENZA E TECNOLOGIA DEL FARMACO
4-amino-1,2,4-triazole-3-thione as a promising scaffold for the inhibition of serine and metallo-β-lactamases
2020-01-01 Linciano P.; Gianquinto E.; Montanari M.; Maso L.; Bellio P.; Cebrian-Sastre E.; Celenza G.; Blazquez J.; Cendron L.; Spyrakis F.; Tondi D.
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics
2021-01-01 Gossen J.; Albani S.; Hanke A.; Joseph B.P.; Bergh C.; Kuzikov M.; Costanzi E.; Manelfi C.; Storici P.; Gribbon P.; Beccari A.R.; Talarico C.; Spyrakis F.; Lindahl E.; Zaliani A.; Carloni P.; Wade R.C.; Musiani F.; Kokh D.B.; Rossetti G.
A community effort in SARS-CoV-2 drug discovery
2023-01-01 Schimunek, Johannes; Seidl, Philipp; Elez, Katarina; Hempel, Tim; Le, Tuan; Noé, Frank; Olsson, Simon; Raich, Lluís; Winter, Robin; Gokcan, Hatice; Gusev, Filipp; Gutkin, Evgeny M; Isayev, Olexandr; Kurnikova, Maria G; Narangoda, Chamali H; Zubatyuk, Roman; Bosko, Ivan P; Furs, Konstantin V; Karpenko, Anna D; Kornoushenko, Yury V; Shuldau, Mikita; Yushkevich, Artsemi; Benabderrahmane, Mohammed B; Bousquet-Melou, Patrick; Bureau, Ronan; Charton, Beatrice; Cirou, Bertrand C; Gil, Gérard; Allen, William J; Sirimulla, Suman; Watowich, Stanley; Antonopoulos, Nick A; Epitropakis, Nikolaos E; Krasoulis, Agamemnon K; Pitsikalis, Vassilis P; Theodorakis, Stavros T; Kozlovskii, Igor; Maliutin, Anton; Medvedev, Alexander; Popov, Petr; Zaretckii, Mark; Eghbal-Zadeh, Hamid; Halmich, Christina; Hochreiter, Sepp; Mayr, Andreas; Ruch, Peter; Widrich, Michael; Berenger, Francois; Kumar, Ashutosh; Yamanishi, Yoshihiro; Zhang, Kam Y J; Bengio, Emmanuel; Bengio, Yoshua; Jain, Moksh J; Korablyov, Maksym; Liu, Cheng-Hao; Marcou, Gilles; Glaab, Enrico; Barnsley, Kelly; Iyengar, Suhasini M; Ondrechen, Mary Jo; Haupt, V Joachim; Kaiser, Florian; Schroeder, Michael; Pugliese, Luisa; Albani, Simone; Athanasiou, Christina; Beccari, Andrea; Carloni, Paolo; D'Arrigo, Giulia; Gianquinto, Eleonora; Goßen, Jonas; Hanke, Anton; Joseph, Benjamin P; Kokh, Daria B; Kovachka, Sandra; Manelfi, Candida; Mukherjee, Goutam; Muñiz-Chicharro, Abraham; Musiani, Francesco; Nunes-Alves, Ariane; Paiardi, Giulia; Rossetti, Giulia; Sadiq, S Kashif; Spyrakis, Francesca; Talarico, Carmine; Tsengenes, Alexandros; Wade, Rebecca C; Copeland, Conner; Gaiser, Jeremiah; Olson, Daniel R; Roy, Amitava; Venkatraman, Vishwesh; Wheeler, Travis J; Arthanari, Haribabu; Blaschitz, Klara; Cespugli, Marco; Durmaz, Vedat; Fackeldey, Konstantin; Fischer, Patrick D; Gorgulla, Christoph; Gruber, Christian; Gruber, Karl; Hetmann, Michael; Kinney, Jamie E; Padmanabha Das, Krishna M; Pandita, Shreya; Singh, Amit; Steinkellner, Georg; Tesseyre, Guilhem; Wagner, Gerhard; Wang, Zi-Fu; Yust, Ryan J; Druzhilovskiy, Dmitry S; Filimonov, Dmitry A; Pogodin, Pavel V; Poroikov, Vladimir; Rudik, Anastassia V; Stolbov, Leonid A; Veselovsky, Alexander V; De Rosa, Maria; De Simone, Giada; Gulotta, Maria R; Lombino, Jessica; Mekni, Nedra; Perricone, Ugo; Casini, Arturo; Embree, Amanda; Gordon, D Benjamin; Lei, David; Pratt, Katelin; Voigt, Christopher A; Chen, Kuang-Yu; Jacob, Yves; Krischuns, Tim; Lafaye, Pierre; Zettor, Agnès; Rodríguez, M Luis; White, Kris M; Fearon, Daren; Von Delft, Frank; Walsh, Martin A; Horvath, Dragos; Brooks, Charles L; Falsafi, Babak; Ford, Bryan; García-Sastre, Adolfo; Yup Lee, Sang; Naffakh, Nadia; Varnek, Alexandre; Klambauer, Günter; Hermans, Thomas M
A generator of peroxynitrite activatable with red light
2021-01-01 Parisi C.; Failla M.; Fraix A.; Menilli L.; Moret F.; Reddi E.; Rolando B.; Spyrakis F.; Lazzarato L.; Fruttero R.; Gasco A.; Sortino S.
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor
2012-01-01 Dal Palú, Alessandro; Spyrakis, Francesca; Cozzini, Pietro
A new generation of AKR1C3 inhibitors on the horizon: the 3- hydroxybenzazole approach to target prostate cancer
2023-01-01 Chiara Vigato, Agnese Chiara Pippione, Stefano Sainas, Iole Mannella, Laura Bertarini, Sandra Kovachka, Barbara Rolando, Osman Asghar Mirza, Karla Frydenvang, Francesca Spyrakis, Simonetta Oliaro-Bosso, Marco Lucio Lolli, Donatella Boschi
A novel Bim-BH3-derived Bcl-XL inhibitor: Biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity
2008-01-01 Ponassi, Raffaella; Biasotti, Barbara; Tomati, Valeria; Bruno, Silvia; Poggi, Alessandro; Malacarne, Davide; Cimoli, Guido; Salis, Annalisa; Pozzi, Sarah; Miglino, Maurizio; Damonte, Gianluca; Cozzini, Pietro; Spyrakis, Francesca; Campanini, Barbara; Bagnasco, Luca; Castagnino, Nicoletta; Tortolina, Lorenzo; Mumot, Anna; Frassoni, Francesco; Daga, Antonio; Cilli, Michele; Piccardi, Federica; Monfardini, Ilaria; Perugini, Miriam; Zoppoli, Gabriele; D'Arrigo, Cristina; Pesenti, Raffaele; Parodi, Silvio
A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth
2020-01-01 Celegato, Marta; Messa, Lorenzo; Goracci, Laura; Mercorelli, Beatrice; Bertagnin, Chiara; Spyrakis, Francesca; Suarez, Irina; Cousido-Siah, Alexandra; Travé, Gilles; Banks, Lawrence; Cruciani, Gabriele; Palù, Giorgio; Loregian, Arianna
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins
2015-01-01 Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele
A structural homologue of the plant receptor D14 mediates responses to strigolactones in the fungal phytopathogen Cryphonectria parasitica
2022-01-01 Valentina Fiorilli, Marco Forgia, Alexandre de Saint Germain, Giulia D’Arrigo, David Cornu, Philippe Le Bris, Salim Al-Babili, Francesca Cardinale, Cristina Prandi, Francesca Spyrakis, François-Didier Boyer, Massimo Turina, Luisa Lanfranco
Allosteric communication between alpha and beta subunits of tryptophan synthase: Modelling the open-closed transition of the alpha subunit
2006-01-01 Spyrakis, Francesca; Raboni, Samanta; Cozzini, Pietro; Bettati, Stefano; Mozzarelli, Andrea
Antiherpetic Activity of a Root Exudate from Solanum lycopersicum [*Valentina Dell'Oste, Marco Blangetti co-corresponding authors; † Greta Bajetto, Davide Arnodo co-first authors]
2024-01-01 Greta Bajetto, Davide Arnodo, Matteo Biolatti, Linda Trifirò, Camilla Albano, Selina Pasquero, Francesca Gugliesi, Eva Campo, Francesca Spyrakis, Cristina Prandi, Marco De Andrea, Valentina Dell’Oste, Ivan Visentin, Marco Blangetti
Antitarget, Anti-SARS-CoV-2 Leads, Drugs, and the Drug Discovery-Genetics Alliance Perspective
2023-01-01 Pozzi, Cecilia; Vanet, Anne; Francesconi, Valeria; Tagliazucchi, Lorenzo; Tassone, Giusy; Venturelli, Alberto; Spyrakis, Francesca; Mazzorana, Marco; Costi, Maria P; Tonelli, Michele
Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3)
2019-01-01 Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro-Bosso, Marco Lucio Lolli, Donatella Boschi
Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3)
2019-01-01 Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro Bosso, Marco Lucio Lolli, Donatella Boschi
Binding of androgen-and estrogen-like flavonoids to their cognate (Non)nuclear receptors: A comparison by computational prediction
2021-01-01 D'arrigo G.; Gianquinto E.; Rossetti G.; Cruciani G.; Lorenzetti S.; Spyrakis F.
BioGPS: The music for the chemo- and bioinformatics walzer
2014-01-01 Siragusa, Lydia; Spyrakis, Francesca; Goracci, Laura; Cross, Simon; Cruciani, Gabriele
Bound water at protein-protein interfaces: Partners, roles and hydrophobic bubbles as a conserved motif
2011-01-01 Ahmed, Mostafa H.; Spyrakis, Francesca; Cozzini, Pietro; Tripathi, Parijat K.; Mozzarelli, Andrea; Scarsdale, J. Neel; Safo, Martin A.; Kellogg, Glen E.
BROAD SPECTRUM METALLO beta-LACTAMASES INHIBITORS: NEW TOOLS AGAINST CLINICALLY-RELEVANT CARBAPENEMASES
2022-01-01 Lazzarato, L.; Failla, M.; Gianquinto, E.; Bersani, M.; Bertarini, L.; Verri, A.; Vascon, F.; Sannio, F.; Verdirosa, F.; Beatrice, N.; De Luca, F.; Costi, M.P.; Cruciani, G.; Docquier, J.D.; Cendron, L.; Spyrakis, F.; Tondi, D.
Can we exploit β-lactamases intrinsic dynamics for designing more effective inhibitors?
2020-01-01 Gianquinto E.; Tondi D.; D'arrigo G.; Lazzarato L.; Spyrakis F.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| 4-amino-1,2,4-triazole-3-thione as a promising scaffold for the inhibition of serine and metallo-β-lactamases | 2020 | Linciano P.; Gianquinto E.; Montanari M.; Maso L.; Bellio P.; Cebrian-Sastre E.; Celenza G.; Blazquez J.; Cendron L.; Spyrakis F.; Tondi D. | |
| A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics | 2021 | Gossen J.; Albani S.; Hanke A.; Joseph B.P.; Bergh C.; Kuzikov M.; Costanzi E.; Manelfi C.; Storici P.; Gribbon P.; Beccari A.R.; Talarico C.; Spyrakis F.; Lindahl E.; Zaliani A.; Carloni P.; Wade R.C.; Musiani F.; Kokh D.B.; Rossetti G. | |
| A community effort in SARS-CoV-2 drug discovery | 2023 | Schimunek, Johannes; Seidl, Philipp; Elez, Katarina; Hempel, Tim; Le, Tuan; Noé, Frank; Olsson, Simon; Raich, Lluís; Winter, Robin; Gokcan, Hatice; Gusev, Filipp; Gutkin, Evgeny M; Isayev, Olexandr; Kurnikova, Maria G; Narangoda, Chamali H; Zubatyuk, Roman; Bosko, Ivan P; Furs, Konstantin V; Karpenko, Anna D; Kornoushenko, Yury V; Shuldau, Mikita; Yushkevich, Artsemi; Benabderrahmane, Mohammed B; Bousquet-Melou, Patrick; Bureau, Ronan; Charton, Beatrice; Cirou, Bertrand C; Gil, Gérard; Allen, William J; Sirimulla, Suman; Watowich, Stanley; Antonopoulos, Nick A; Epitropakis, Nikolaos E; Krasoulis, Agamemnon K; Pitsikalis, Vassilis P; Theodorakis, Stavros T; Kozlovskii, Igor; Maliutin, Anton; Medvedev, Alexander; Popov, Petr; Zaretckii, Mark; Eghbal-Zadeh, Hamid; Halmich, Christina; Hochreiter, Sepp; Mayr, Andreas; Ruch, Peter; Widrich, Michael; Berenger, Francois; Kumar, Ashutosh; Yamanishi, Yoshihiro; Zhang, Kam Y J; Bengio, Emmanuel; Bengio, Yoshua; Jain, Moksh J; Korablyov, Maksym; Liu, Cheng-Hao; Marcou, Gilles; Glaab, Enrico; Barnsley, Kelly; Iyengar, Suhasini M; Ondrechen, Mary Jo; Haupt, V Joachim; Kaiser, Florian; Schroeder, Michael; Pugliese, Luisa; Albani, Simone; Athanasiou, Christina; Beccari, Andrea; Carloni, Paolo; D'Arrigo, Giulia; Gianquinto, Eleonora; Goßen, Jonas; Hanke, Anton; Joseph, Benjamin P; Kokh, Daria B; Kovachka, Sandra; Manelfi, Candida; Mukherjee, Goutam; Muñiz-Chicharro, Abraham; Musiani, Francesco; Nunes-Alves, Ariane; Paiardi, Giulia; Rossetti, Giulia; Sadiq, S Kashif; Spyrakis, Francesca; Talarico, Carmine; Tsengenes, Alexandros; Wade, Rebecca C; Copeland, Conner; Gaiser, Jeremiah; Olson, Daniel R; Roy, Amitava; Venkatraman, Vishwesh; Wheeler, Travis J; Arthanari, Haribabu; Blaschitz, Klara; Cespugli, Marco; Durmaz, Vedat; Fackeldey, Konstantin; Fischer, Patrick D; Gorgulla, Christoph; Gruber, Christian; Gruber, Karl; Hetmann, Michael; Kinney, Jamie E; Padmanabha Das, Krishna M; Pandita, Shreya; Singh, Amit; Steinkellner, Georg; Tesseyre, Guilhem; Wagner, Gerhard; Wang, Zi-Fu; Yust, Ryan J; Druzhilovskiy, Dmitry S; Filimonov, Dmitry A; Pogodin, Pavel V; Poroikov, Vladimir; Rudik, Anastassia V; Stolbov, Leonid A; Veselovsky, Alexander V; De Rosa, Maria; De Simone, Giada; Gulotta, Maria R; Lombino, Jessica; Mekni, Nedra; Perricone, Ugo; Casini, Arturo; Embree, Amanda; Gordon, D Benjamin; Lei, David; Pratt, Katelin; Voigt, Christopher A; Chen, Kuang-Yu; Jacob, Yves; Krischuns, Tim; Lafaye, Pierre; Zettor, Agnès; Rodríguez, M Luis; White, Kris M; Fearon, Daren; Von Delft, Frank; Walsh, Martin A; Horvath, Dragos; Brooks, Charles L; Falsafi, Babak; Ford, Bryan; García-Sastre, Adolfo; Yup Lee, Sang; Naffakh, Nadia; Varnek, Alexandre; Klambauer, Günter; Hermans, Thomas M | |
| A generator of peroxynitrite activatable with red light | 2021 | Parisi C.; Failla M.; Fraix A.; Menilli L.; Moret F.; Reddi E.; Rolando B.; Spyrakis F.; Lazzarato L.; Fruttero R.; Gasco A.; Sortino S. | |
| A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor | 2012 | Dal Palú, Alessandro; Spyrakis, Francesca; Cozzini, Pietro | |
| A new generation of AKR1C3 inhibitors on the horizon: the 3- hydroxybenzazole approach to target prostate cancer | 2023 | Chiara Vigato, Agnese Chiara Pippione, Stefano Sainas, Iole Mannella, Laura Bertarini, Sandra Kovachka, Barbara Rolando, Osman Asghar Mirza, Karla Frydenvang, Francesca Spyrakis, Simonetta Oliaro-Bosso, Marco Lucio Lolli, Donatella Boschi | |
| A novel Bim-BH3-derived Bcl-XL inhibitor: Biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity | 2008 | Ponassi, Raffaella; Biasotti, Barbara; Tomati, Valeria; Bruno, Silvia; Poggi, Alessandro; Malacarne, Davide; Cimoli, Guido; Salis, Annalisa; Pozzi, Sarah; Miglino, Maurizio; Damonte, Gianluca; Cozzini, Pietro; Spyrakis, Francesca; Campanini, Barbara; Bagnasco, Luca; Castagnino, Nicoletta; Tortolina, Lorenzo; Mumot, Anna; Frassoni, Francesco; Daga, Antonio; Cilli, Michele; Piccardi, Federica; Monfardini, Ilaria; Perugini, Miriam; Zoppoli, Gabriele; D'Arrigo, Cristina; Pesenti, Raffaele; Parodi, Silvio | |
| A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth | 2020 | Celegato, Marta; Messa, Lorenzo; Goracci, Laura; Mercorelli, Beatrice; Bertagnin, Chiara; Spyrakis, Francesca; Suarez, Irina; Cousido-Siah, Alexandra; Travé, Gilles; Banks, Lawrence; Cruciani, Gabriele; Palù, Giorgio; Loregian, Arianna | |
| A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins | 2015 | Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele | |
| A structural homologue of the plant receptor D14 mediates responses to strigolactones in the fungal phytopathogen Cryphonectria parasitica | 2022 | Valentina Fiorilli, Marco Forgia, Alexandre de Saint Germain, Giulia D’Arrigo, David Cornu, Philippe Le Bris, Salim Al-Babili, Francesca Cardinale, Cristina Prandi, Francesca Spyrakis, François-Didier Boyer, Massimo Turina, Luisa Lanfranco | |
| Allosteric communication between alpha and beta subunits of tryptophan synthase: Modelling the open-closed transition of the alpha subunit | 2006 | Spyrakis, Francesca; Raboni, Samanta; Cozzini, Pietro; Bettati, Stefano; Mozzarelli, Andrea | |
| Antiherpetic Activity of a Root Exudate from Solanum lycopersicum [*Valentina Dell'Oste, Marco Blangetti co-corresponding authors; † Greta Bajetto, Davide Arnodo co-first authors] | 2024 | Greta Bajetto, Davide Arnodo, Matteo Biolatti, Linda Trifirò, Camilla Albano, Selina Pasquero, Francesca Gugliesi, Eva Campo, Francesca Spyrakis, Cristina Prandi, Marco De Andrea, Valentina Dell’Oste, Ivan Visentin, Marco Blangetti | |
| Antitarget, Anti-SARS-CoV-2 Leads, Drugs, and the Drug Discovery-Genetics Alliance Perspective | 2023 | Pozzi, Cecilia; Vanet, Anne; Francesconi, Valeria; Tagliazucchi, Lorenzo; Tassone, Giusy; Venturelli, Alberto; Spyrakis, Francesca; Mazzorana, Marco; Costi, Maria P; Tonelli, Michele | |
| Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3) | 2019 | Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro-Bosso, Marco Lucio Lolli, Donatella Boschi | |
| Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3) | 2019 | Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro Bosso, Marco Lucio Lolli, Donatella Boschi | |
| Binding of androgen-and estrogen-like flavonoids to their cognate (Non)nuclear receptors: A comparison by computational prediction | 2021 | D'arrigo G.; Gianquinto E.; Rossetti G.; Cruciani G.; Lorenzetti S.; Spyrakis F. | |
| BioGPS: The music for the chemo- and bioinformatics walzer | 2014 | Siragusa, Lydia; Spyrakis, Francesca; Goracci, Laura; Cross, Simon; Cruciani, Gabriele | |
| Bound water at protein-protein interfaces: Partners, roles and hydrophobic bubbles as a conserved motif | 2011 | Ahmed, Mostafa H.; Spyrakis, Francesca; Cozzini, Pietro; Tripathi, Parijat K.; Mozzarelli, Andrea; Scarsdale, J. Neel; Safo, Martin A.; Kellogg, Glen E. | |
| BROAD SPECTRUM METALLO beta-LACTAMASES INHIBITORS: NEW TOOLS AGAINST CLINICALLY-RELEVANT CARBAPENEMASES | 2022 | Lazzarato, L.; Failla, M.; Gianquinto, E.; Bersani, M.; Bertarini, L.; Verri, A.; Vascon, F.; Sannio, F.; Verdirosa, F.; Beatrice, N.; De Luca, F.; Costi, M.P.; Cruciani, G.; Docquier, J.D.; Cendron, L.; Spyrakis, F.; Tondi, D. | |
| Can we exploit β-lactamases intrinsic dynamics for designing more effective inhibitors? | 2020 | Gianquinto E.; Tondi D.; D'arrigo G.; Lazzarato L.; Spyrakis F. |